CID 98132

40252-86-6

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CC2CC1C3C2CC(C3)C(=O)O
InChI
InChI=1S/C11H16O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h6-10H,1-5H2,(H,12,13)
InChIKey
RDARSNURXMFGDV-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

180.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 145.0
[M+Na]+ 203.10426 151.4
[M-H]- 179.10776 147.4
[M+NH4]+ 198.14886 172.0
[M+K]+ 219.07820 148.7
[M+H-H2O]+ 163.11230 142.1
[M+HCOO]- 225.11324 162.6
[M+CH3COO]- 239.12889 157.5
[M+Na-2H]- 201.08971 144.5
[M]+ 180.11449 142.0
[M]- 180.11559 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe